SCHEMBL15629331

SCHEMBL15629331

B[PH](OC)(OCOC(C)=O)OC[C@@H]1C[C@H](O)[C@H](n2cnc3c2ncn2ccnc32)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ P2RX3 P56373 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.35
▸ HINT1 P49773 3/20 0.34
▸ BCHE P06276 1/20 0.33
▸ NT5E P21589 2/20 0.32
▸ SLC29A1 Q99808 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PRKAB2 O43741 1/20 0.30
▸ PRKAG1 P54619 1/20 0.30
▸ PRKAA2 P54646 1/20 0.30
▸ PRKAA1 Q13131 1/20 0.30
▸ PRKAG3 Q9UGI9 1/20 0.30
▸ PRKAG2 Q9UGJ0 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15629327 0.85 TAS1R3 (0.48) TAS1R3TAS1R1P2RX3P2RX2ADORA3
SCHEMBL15629245 0.78 PRMT6 (0.43) ADORA3SLC29A1PRKAB2PRKAG1PRKAA2
SCHEMBL15629326 0.77 THRB (0.34) NT5E
SCHEMBL24258545 0.75 TAS1R3 (0.51) TAS1R3TAS1R1P2RX3P2RX2SLC29A1
SCHEMBL15629382 0.68 BCHE (0.47) TAS1R3TAS1R1ADORA3BCHESLC29A1
SCHEMBL15629246 0.68 TYMP (0.38) ADORA3BCHENT5ESLC29A1
SCHEMBL15626256 0.68 TAS1R3 (0.47) TAS1R3TAS1R1P2RX3P2RX2HINT1
SCHEMBL11654898 0.67 BCHE (0.57) ADORA3BCHE
SCHEMBL11451041 0.67 BCHE (0.57) ADORA3BCHE
SCHEMBL15629254 0.66 HINT1 (0.43) HINT1NT5EALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487553-B2 Boranophosphate analogues of cyclic nucleotides BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2016-11-08 — — US disclosed
US-20140088033-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2014-03-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140088033-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES NT5C2, NT5E, ENPP3 TAS1R3 3734/4885TAS1R1 4075/4885P2RX3 118/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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